8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H9N3O2 — CID 126698195

IUPAC8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2c(Oc3ccccc3)cccn12
InChIInChI=1S/C12H9N3O2/c16-12-14-13-11-10(7-4-8-15(11)12)17-9-5-2-1-3-6-9/h1-8H,(H,14,16)
InChIKeyWSIKNCMKGNKIJV-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.81
Rot. Bonds2

About 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 126698195) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID126698195
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1[nH]nc2c(Oc3ccccc3)cccn12
InChIInChI=1S/C12H9N3O2/c16-12-14-13-11-10(7-4-8-15(11)12)17-9-5-2-1-3-6-9/h1-8H,(H,14,16)
InChIKeyWSIKNCMKGNKIJV-UHFFFAOYSA-N
XLogP1.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 126698195) is 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1[nH]nc2c(Oc3ccccc3)cccn12.
What is the InChIKey of 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is WSIKNCMKGNKIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-12-14-13-11-10(7-4-8-15(11)12)17-9-5-2-1-3-6-9/h1-8H,(H,14,16).
What are the key properties of 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 227.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 126698195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).